SCHEMBL31111018

SCHEMBL31111018

COC(=O)/C=C/c1cccc2c1OCC2(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
IP6K1 Q92551 1/20 0.37
IP6K3 Q96PC2 1/20 0.37
IP6K2 Q9UHH9 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TYR P14679 1/20 0.35
CA7 P43166 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31110665 0.76 HTR2B (0.39) ALDH1A1MEN1KMT2A
SCHEMBL474092 0.74 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL474093 0.74 ALDH1A1 (0.46) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL31110668 0.72 TDP1 (0.36) ALDH1A1MEN1KMT2ACA12CA7
SCHEMBL10438847 0.69 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL69522 0.69 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL31110796 0.69 HTR1A (0.38) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL11061667 0.68 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL31110664 0.68 PKM (0.38) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL9255036 0.67 PRKDC (0.42) ALDH1A1MAPTKDM4EMEN1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4673141-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME Sionna Therapeutics Inc. (US) 2026-01-07 EP disclosed
WO-2024182751-A1 NBD1 MODULATORS AND METHODS OF USING THE SAME SIONNA THERAPEUTICS INC. (US) 2024-09-06 WO disclosed